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CAS 1621375-40-3 Phenol, 2,3-difluoro-6-[2-(4-morpholinyl)-4-thiazolyl]- molecular structure lightbox
CAS RN: 1621375-40-3

Phenol, 2,3-difluoro-6-[2-(4-morpholinyl)-4-thiazolyl]-

  • Product code: SSC-069674
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1621375-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1621375-40-3 / 2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol

Standard CAS: 1621375-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1621375-40-3
Multi CAS
No
Molecular Formula
C13H12F2N2O2S
Molecular Weight
298.310000
Exact Mass
298.058755
SMILES
C1COCCN1C2=NC(=CS2)C3=C(C(=C(C=C3)F)F)O
InChI
InChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
InChIKey
MSJISRJFQIZJOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.16
TPSA
45.59

LogP / Solubility

WLOGP
2.63
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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